3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazepan-4-one

Systemtic Name: 3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazepan-4-one Openeye Name: 3-(4-methoxyphenyl)-2-thioxo-1,3-thiazepan-4-one CAS Name: 3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazepan-4-one IUPAC Name: 3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazepan-4-one Traditional Name: 3-(4-methoxyphenyl)-2-thioxo-1,3-thiazepan-4-one Formula: C12H13NO2S2 MolecularWeight: 267.36712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CCCSC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)CCCSC2=S

InChI

InChI=1S/C12H13NO2S2/c1-15-10-6-4-9(5-7-10)13-11(14)3-2-8-17-12(13)16/h4-7H,2-3,8H2,1H3